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3-((2,4-Dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazol-6(5H)-one
SpectraBase Compound ID Ae8JclpM0wZ
InChI InChI=1S/C10H6Cl2N4O2S/c11-5-1-2-7(6(12)3-5)18-4-8-13-14-9-16(8)15-10(17)19-9/h1-3H,4H2,(H,15,17)
InChIKey PBHMWTAOGZHVMW-UHFFFAOYSA-N
Mol Weight 317.15 g/mol
Molecular Formula C10H6Cl2N4O2S
Exact Mass 315.958852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m6zWmLRMWf
Name 3-((2,4-Dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b]-[1,3,4]thiadiazol-6(5H)-one
Alternate Name(s) 3-[[2,4-bis(chloranyl)phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H6Cl2N4O2S
InChI InChI=1S/C10H6Cl2N4O2S/c11-5-1-2-7(6(12)3-5)18-4-8-13-14-9-16(8)15-10(17)19-9/h1-3H,4H2,(H,15,17)
InChIKey PBHMWTAOGZHVMW-UHFFFAOYSA-N
Molecular Weight 317.150 g/mol
SMILES N1[n]2c(SC1=O)nnc2COc1c(cc(cc1)Cl)Cl
SPLASH splash10-014i-0009000000-0f6f6fea9dfd3e08b43d
Source of Spectrum Y-45-1908-6
Wiley ID 1704485